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	hartrees
Energy at 0K	-33.707709
Energy at 298.15K
HF Energy	-33.707709
Nuclear repulsion energy	66.304239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3979	3587	6.00	99.47	0.71	0.83
2	A	3838	3460	2.22	230.88	0.09	0.17
3	A	3368	3036	0.00	139.71	0.44	0.61
4	A	1892	1705	2.22	90.86	0.18	0.31
5	A	1811	1632	12.37	12.79	0.74	0.85
6	A	1444	1302	0.40	28.31	0.33	0.50
7	A	1356	1222	1.11	12.88	0.74	0.85
8	A	1077	971	23.55	9.24	0.41	0.58
9	A	1050	947	89.36	5.02	0.41	0.58
10	A	592	534	47.93	11.05	0.27	0.43
11	A	494	445	506.06	2.88	0.13	0.23
12	A	334	301	34.30	2.58	0.67	0.80
13	A	230	207	31.47	3.00	0.75	0.86
14	B	3979	3587	17.76	29.23	0.75	0.86
15	B	3837	3459	19.01	31.34	0.75	0.86
16	B	3370	3038	88.01	0.89	0.75	0.86
17	B	1819	1640	128.15	2.68	0.75	0.86
18	B	1489	1343	4.80	0.86	0.75	0.86
19	B	1248	1125	226.72	0.18	0.75	0.86
20	B	1173	1057	8.36	6.87	0.75	0.86
21	B	923	832	30.25	31.88	0.75	0.86
22	B	446	402	315.46	2.58	0.75	0.86
23	B	329	296	3.76	0.77	0.75	0.86
24	B	123	111	227.45	0.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.596	0.037
C2	-0.322	-0.596	0.037
N3	-0.322	1.862	-0.070
N4	0.322	-1.862	-0.070
H5	1.401	0.643	0.044
H6	-1.401	-0.643	0.044
H7	-1.304	1.890	-0.246
H8	1.304	-1.890	-0.246
H9	0.043	2.618	0.469
H10	-0.043	-2.618	0.469

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3551	1.4236	2.4606	1.0800	2.1220	2.0962	2.6879	2.0861	3.2639
C2	1.3551		2.4606	1.4236	2.1220	1.0800	2.6879	2.0962	3.2639	2.0861
N3	1.4236	2.4606		3.7788	2.1126	2.7302	0.9982	4.0921	0.9978	4.5210
N4	2.4606	1.4236	3.7788		2.7302	2.1126	4.0921	0.9982	4.5210	0.9978
H5	1.0800	2.1220	2.1126	2.7302		3.0826	2.9916	2.5514	2.4338	3.5921
H6	2.1220	1.0800	2.7302	2.1126	3.0826		2.5514	2.9916	3.5921	2.4338
H7	2.0962	2.6879	0.9982	4.0921	2.9916	2.5514		4.5914	1.6899	4.7351
H8	2.6879	2.0962	4.0921	0.9982	2.5514	2.9916	4.5914		4.7351	1.6899
H9	2.0861	3.2639	0.9978	4.5210	2.4338	3.5921	1.6899	4.7351		5.2372
H10	3.2639	2.0861	4.5210	0.9978	3.5921	2.4338	4.7351	1.6899	5.2372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	124.612	C1	C2	H6	120.834
C1	N3	H7	118.849	C1	N3	H9	117.914
C2	C1	N3	124.612	C2	C1	H5	120.834
C2	N4	H8	118.849	C2	N4	H10	117.914
N3	C1	H5	114.395	N4	C2	H6	114.395
H7	N3	H9	115.700	H8	N4	H10	115.700

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.184
2	C	-0.184
3	N	-0.617
4	N	-0.617
5	H	0.203
6	H	0.203
7	H	0.302
8	H	0.302
9	H	0.296
10	H	0.296

	x	y	z	Total
	0.000	0.000	1.752	1.752
CHELPG
AIM
ESP

	x	y	z
x	4.641	0.717	0.000
y	0.717	7.971	0.000
z	0.000	0.000	2.824

<r²>	83.775
(<r²>)^1/2	9.153

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)